3-amino-7-methoxythieno[3,2-b]pyridine-2-carboxylate

C9H7N2O3S- — CID 18796812

IUPAC3-amino-7-methoxythieno[3,2-b]pyridine-2-carboxylate
SMILESCOc1ccnc2c(N)c(C(=O)[O-])sc12
InChIInChI=1S/C9H8N2O3S/c1-14-4-2-3-11-6-5(10)8(9(12)13)15-7(4)6/h2-3H,10H2,1H3,(H,12,13)/p-1
InChIKeyIPOLFMRDGXQMMQ-UHFFFAOYSA-M
MW223.23 g/mol
LogP0.25
Rot. Bonds2

About 3-amino-7-methoxythieno[3,2-b]pyridine-2-carboxylate

3-amino-7-methoxythieno[3,2-b]pyridine-2-carboxylate (PubChem CID 18796812) has the molecular formula C9H7N2O3S- and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-amino-7-methoxythieno[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Name3-amino-7-methoxythieno[3,2-b]pyridine-2-carboxylate
PubChem CID18796812
Molecular FormulaC9H7N2O3S-
Molecular Weight223.23 g/mol
Exact Mass223.02
IUPAC Name3-amino-7-methoxythieno[3,2-b]pyridine-2-carboxylate
SMILESCOc1ccnc2c(N)c(C(=O)[O-])sc12
InChIInChI=1S/C9H8N2O3S/c1-14-4-2-3-11-6-5(10)8(9(12)13)15-7(4)6/h2-3H,10H2,1H3,(H,12,13)/p-1
InChIKeyIPOLFMRDGXQMMQ-UHFFFAOYSA-M
XLogP0.25
TPSA88.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-7-methoxythieno[3,2-b]pyridine-2-carboxylate?
The IUPAC name of 3-amino-7-methoxythieno[3,2-b]pyridine-2-carboxylate (CID 18796812) is 3-amino-7-methoxythieno[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for 3-amino-7-methoxythieno[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for 3-amino-7-methoxythieno[3,2-b]pyridine-2-carboxylate is COc1ccnc2c(N)c(C(=O)[O-])sc12.
What is the InChIKey of 3-amino-7-methoxythieno[3,2-b]pyridine-2-carboxylate?
The InChIKey is IPOLFMRDGXQMMQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8N2O3S/c1-14-4-2-3-11-6-5(10)8(9(12)13)15-7(4)6/h2-3H,10H2,1H3,(H,12,13)/p-1.
What are the key properties of 3-amino-7-methoxythieno[3,2-b]pyridine-2-carboxylate?
3-amino-7-methoxythieno[3,2-b]pyridine-2-carboxylate has a molecular weight of 223.23 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-methoxythieno[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 18796812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).